N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide

C20H24N2O5 — CID 166436518

IUPACN-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-16-13-18(27-14-17(16)24)20(26)21-12-8-3-1-2-7-11-19(25)22-15-9-5-4-6-10-15/h4-6,9-10,13-14,24H,1-3,7-8,11-12H2,(H,21,26)(H,22,25)
InChIKeyYSAZXODPSOTHTE-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.05
Rot. Bonds10

About N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide

N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 166436518) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
PubChem CID166436518
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1
InChIInChI=1S/C20H24N2O5/c23-16-13-18(27-14-17(16)24)20(26)21-12-8-3-1-2-7-11-19(25)22-15-9-5-4-6-10-15/h4-6,9-10,13-14,24H,1-3,7-8,11-12H2,(H,21,26)(H,22,25)
InChIKeyYSAZXODPSOTHTE-UHFFFAOYSA-N
XLogP3.05
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 7178516
N-isopropyl-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 7178544
2-(Anilinomethyl)-5-hydroxypyran-4-one
CID 130407637
N-(5-anilino-5-oxopentyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437388
N-(6-anilino-6-oxohexyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437332
N-(7-anilino-7-oxoheptyl)-5-hydroxy-4-oxopyran-2-carboxamide
CID 165437357
2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)-N-propylacetamide
CID 7178529
N~1~-(2-Hydroxyethyl)-N~8~-phenyloctanediamide
CID 44356975
2-((1-(2-methoxyethyl)-2-methyl-4-oxo-1,4-dihydropyridin-3-yl)oxy)-N-phenylacetamide
CID 52897996
N-[4-(dimethylamino)phenyl]-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 27378268
2-((4-oxo-6-(pyrrolidine-1-carbonyl)-4H-pyran-3-yl)oxy)-N-phenylacetamide
CID 30864823
N-(3,5-difluorophenyl)-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidine-2-carboxamide
CID 60331154

Frequently Asked Questions

What is the IUPAC name of N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide (CID 166436518) is N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide is O=C(CCCCCCCNC(=O)c1cc(=O)c(O)co1)Nc1ccccc1.
What is the InChIKey of N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is YSAZXODPSOTHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c23-16-13-18(27-14-17(16)24)20(26)21-12-8-3-1-2-7-11-19(25)22-15-9-5-4-6-10-15/h4-6,9-10,13-14,24H,1-3,7-8,11-12H2,(H,21,26)(H,22,25).
What are the key properties of N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide?
N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-anilino-8-oxooctyl)-5-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 166436518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).